UCSF

ZINC62977258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 31 No

Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[[4-(diethylamino)phenyl]…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.20 11.7 -49.07 1 5 0 47 421.561 6 ↓
Mid Mid (pH 6-8) 5.20 14.07 -105.91 2 5 0 48 422.569 6 ↓
Mid Mid (pH 6-8) 5.20 11.42 -8.44 0 5 0 46 420.553 6 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.